MMsINC Database Search


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MMsINC code: MMs02216495

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(Nc1ccc(N(C(=O)C)C)cc1)Cc1ccccc1

InChI:

InChI=1/C17H18N2O2/c1-13(20)19(2)16-10-8-15(9-11-16)18-17(21)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.367 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.5198	SlogP: 2.85047	Reactive groups: 0

Topological Properties
Globularity: 0.0447244	Sterimol/B1: 2.47869	Sterimol/B2: 3.7627	Sterimol/B3: 3.7921
Sterimol/B4: 6.65119	Sterimol/L: 16.2908

Surface and Volume Properties
Accessible surface: 539.788	Positive charged surface: 342.614	Negative charged surface: 197.174	Volume: 282.5
Hydrophobic surface: 469.4	Hydrophilic surface: 70.388

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.